CID 71367627

3-(heptafluoropropyl)pentane-1,5-diol

Structural Information

Molecular Formula
C8H11F7O2
SMILES
C(CO)C(CCO)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H11F7O2/c9-6(10,5(1-3-16)2-4-17)7(11,12)8(13,14)15/h5,16-17H,1-4H2
InChIKey
UAAOSQWHVBRSMT-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

272.06473 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07201 152.1
[M+Na]+ 295.05395 158.9
[M-H]- 271.05745 140.7
[M+NH4]+ 290.09855 166.6
[M+K]+ 311.02789 156.2
[M+H-H2O]+ 255.06199 142.7
[M+HCOO]- 317.06293 159.5
[M+CH3COO]- 331.07858 193.4
[M+Na-2H]- 293.03940 154.2
[M]+ 272.06418 141.4
[M]- 272.06528 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe